Monomers
Acrylic acid 4-acetylphenyl ester
Identifiers
IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
5.3183 -0.4312 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3508 0.2266 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9618 -0.1911 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6429 -1.2002 0.6584 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9115 0.4847 -0.6385 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 0.1318 -0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.7362 -1.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3289 -1.0897 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0901 -0.5636 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5222 0.3060 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1883 0.6403 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4951 -0.9461 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0105 -1.7375 -0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3593 -0.4141 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0957 -1.2857 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3444 -0.1368 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5309 1.1073 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5555 -1.1860 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8113 -1.7668 -1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1096 0.7158 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3008 1.3274 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6915 0.5979 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7741 -0.3821 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2291 -1.0699 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 2 0
12 14 1 0
11 6 1 0
1 15 1 0
1 16 1 0
2 17 1 0
7 18 1 0
8 19 1 0
10 20 1 0
11 21 1 0
14 22 1 0
14 23 1 0
14 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers